2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid

C13H15NO4 — CID 115064623

IUPAC2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
SMILESCc1ccccc1N1C(=O)OCC1(C)CC(=O)O
InChIInChI=1S/C13H15NO4/c1-9-5-3-4-6-10(9)14-12(17)18-8-13(14,2)7-11(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyMOKYLAVHJQNUPS-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.19
Rot. Bonds3

About 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid

2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid (PubChem CID 115064623) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
PubChem CID115064623
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
SMILESCc1ccccc1N1C(=O)OCC1(C)CC(=O)O
InChIInChI=1S/C13H15NO4/c1-9-5-3-4-6-10(9)14-12(17)18-8-13(14,2)7-11(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyMOKYLAVHJQNUPS-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115064459
4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063942
3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115064700
5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione
CID 56688466
4-methyl-3-(2-methylphenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064316
2-[4,7,7-trimethyl-2-[4-(2-methylphenyl)piperazine-1-carbonyl]-3-oxo-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 21476358
5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115065215
4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023248
N,1-bis(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 3535232
5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023339
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
2-[3,3-dimethyl-1-(2-methylphenyl)piperidin-4-yl]acetic acid
CID 117024644

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The IUPAC name of 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid (CID 115064623) is 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid is Cc1ccccc1N1C(=O)OCC1(C)CC(=O)O.
What is the InChIKey of 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The InChIKey is MOKYLAVHJQNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9-5-3-4-6-10(9)14-12(17)18-8-13(14,2)7-11(15)16/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid is sourced from PubChem (CID 115064623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).